raw/materials_project/materials_project-part-116.jsonl

{"cif": "# generated using pymatgen\ndata_In3As\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.67168100\n_cell_length_b   4.67168100\n_cell_length_c   4.67168100\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   In3As\n_chemical_formula_sum   'In3 As1'\n_cell_volume   101.95758488\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  In  In0  1  0.00000000  0.50000000  0.50000000  1.0\n  In  In1  1  0.50000000  0.00000000  0.50000000  1.0\n  In  In2  1  0.50000000  0.50000000  0.00000000  1.0\n  As  As3  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"As": 1.0, "In": 3.0}, "description": "", "elements": ["As", "In"], "formula": "In3As", "identifiers": {"materials_project_id": "mp-973466"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.830188937843505, "energy_above_hull": 0.20070065250000013, "formation_energy_per_atom": 0.006445749375000531, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0004646, "volume": 101.95758487636174}, "record_id": "mp-973466", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.671681, "alpha": 90.0, "b": 4.671681, "beta": 90.0, "c": 4.671681, "gamma": 90.0, "matrix": [[4.671681, 0.0, 0.0], [0.0, 4.671681, 0.0], [0.0, 0.0, 4.671681]], "pbc": [true, true, true], "volume": 101.95758487636174}, "properties": {}, "sites": [{"abc": [0.0, 0.5, 0.5], "label": "In", "properties": {"magmom": -0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [0.0, 2.3358405, 2.3358405]}, {"abc": [0.5, 0.0, 0.5], "label": "In", "properties": {"magmom": -0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.3358405, 0.0, 2.3358405]}, {"abc": [0.5, 0.5, 0.0], "label": "In", "properties": {"magmom": -0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.3358405, 2.3358405, 0.0]}, {"abc": [0.0, 0.0, 0.0], "label": "As", "properties": {"magmom": -0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 4 2 3", "number": 221, "point_group": "m-3m", "symbol": "Pm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_InAs\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.31838867\n_cell_length_b   4.31838819\n_cell_length_c   4.31838803\n_cell_angle_alpha   60.00000116\n_cell_angle_beta   60.00000480\n_cell_angle_gamma   59.99999505\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   InAs\n_chemical_formula_sum   'In1 As1'\n_cell_volume   56.94427605\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  In  In0  1  0.25000000  0.25000000  0.25000000  1.0\n  As  As1  1  0.00000000  -0.00000000  -0.00000000  1.0\n", "composition": {"As": 1.0, "In": 1.0}, "description": "", "elements": ["As", "In"], "formula": "InAs", "identifiers": {"materials_project_id": "mp-20305"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.532953275601533, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.3885098062499992, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 56.944276054273985}, "record_id": "mp-20305", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.318388666968727, "alpha": 60.00000116177053, "b": 4.318388191663136, "beta": 60.00000480270759, "c": 4.31838803, "gamma": 59.99999504979405, "matrix": [[3.73983447, 0.0, 2.15919402], [1.24661183, 3.52594905, 2.15919402], [0.0, -0.0, 4.31838803]], "pbc": [true, true, true], "volume": 56.944276054273985}, "properties": {}, "sites": [{"abc": [0.25, 0.25, 0.25], "label": "In", "properties": {}, "species": [{"element": "In", "occu": 1.0}], "xyz": [1.246611575, 0.8814872625, 2.1591940175]}, {"abc": [0.0, -0.0, -0.0], "label": "As", "properties": {}, "species": [{"element": "As", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "F -4 2 3", "number": 216, "point_group": "-43m", "symbol": "F-43m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_InAs\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.56617300\n_cell_length_b   7.56617300\n_cell_length_c   7.56617300\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   InAs\n_chemical_formula_sum   'In8 As8'\n_cell_volume   433.14050800\n_cell_formula_units_Z   8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  In  In0  1  0.34331100  0.15668900  0.84331100  1.0\n  In  In1  1  0.15668900  0.84331100  0.34331100  1.0\n  In  In2  1  0.84331100  0.34331100  0.15668900  1.0\n  In  In3  1  0.65668900  0.65668900  0.65668900  1.0\n  In  In4  1  0.65668900  0.84331100  0.15668900  1.0\n  In  In5  1  0.84331100  0.15668900  0.65668900  1.0\n  In  In6  1  0.15668900  0.65668900  0.84331100  1.0\n  In  In7  1  0.34331100  0.34331100  0.34331100  1.0\n  As  As8  1  0.14086600  0.35913400  0.64086600  1.0\n  As  As9  1  0.35913400  0.64086600  0.14086600  1.0\n  As  As10  1  0.64086600  0.14086600  0.35913400  1.0\n  As  As11  1  0.85913400  0.85913400  0.85913400  1.0\n  As  As12  1  0.85913400  0.64086600  0.35913400  1.0\n  As  As13  1  0.64086600  0.35913400  0.85913400  1.0\n  As  As14  1  0.35913400  0.85913400  0.64086600  1.0\n  As  As15  1  0.14086600  0.14086600  0.14086600  1.0\n", "composition": {"As": 8.0, "In": 8.0}, "description": "", "elements": ["As", "In"], "formula": "InAs", "identifiers": {"materials_project_id": "mp-20412"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.81926673501693, "energy_above_hull": 0.11258943562500079, "formation_energy_per_atom": -0.2759203706249984, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0008965, "volume": 433.1405079960976}, "record_id": "mp-20412", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.566173, "alpha": 90.0, "b": 7.566173, "beta": 90.0, "c": 7.566173, "gamma": 90.0, "matrix": [[7.566173, 0.0, 0.0], [0.0, 7.566173, 0.0], [0.0, 0.0, 7.566173]], "pbc": [true, true, true], "volume": 433.1405079960976}, "properties": {}, "sites": [{"abc": [0.343311, 0.156689, 0.843311], "label": "In", "properties": {"magmom": 0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.597550418803, 1.185536081197, 6.380636918803]}, {"abc": [0.156689, 0.843311, 0.343311], "label": "In", "properties": {"magmom": 0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [1.185536081197, 6.380636918803, 2.597550418803]}, {"abc": [0.843311, 0.343311, 0.156689], "label": "In", "properties": {"magmom": 0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [6.380636918803, 2.597550418803, 1.185536081197]}, {"abc": [0.656689, 0.656689, 0.656689], "label": "In", "properties": {"magmom": 0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [4.968622581197, 4.968622581197, 4.968622581197]}, {"abc": [0.656689, 0.843311, 0.156689], "label": "In", "properties": {"magmom": 0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [4.968622581197, 6.380636918803, 1.185536081197]}, {"abc": [0.843311, 0.156689, 0.656689], "label": "In", "properties": {"magmom": 0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [6.380636918803, 1.185536081197, 4.968622581197]}, {"abc": [0.156689, 0.656689, 0.843311], "label": "In", "properties": {"magmom": 0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [1.185536081197, 4.968622581197, 6.380636918803]}, {"abc": [0.343311, 0.343311, 0.343311], "label": "In", "properties": {"magmom": 0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.597550418803, 2.597550418803, 2.597550418803]}, {"abc": [0.140866, 0.359134, 0.640866], "label": "As", "properties": {"magmom": -0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [1.065816525818, 2.717269974182, 4.848903025818]}, {"abc": [0.359134, 0.640866, 0.140866], "label": "As", "properties": {"magmom": -0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [2.717269974182, 4.848903025818, 1.065816525818]}, {"abc": [0.640866, 0.140866, 0.359134], "label": "As", "properties": {"magmom": -0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [4.848903025818, 1.065816525818, 2.717269974182]}, {"abc": [0.859134, 0.859134, 0.859134], "label": "As", "properties": {"magmom": -0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [6.5003564741819995, 6.5003564741819995, 6.5003564741819995]}, {"abc": [0.859134, 0.640866, 0.359134], "label": "As", "properties": {"magmom": -0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [6.5003564741819995, 4.848903025818, 2.717269974182]}, {"abc": [0.640866, 0.359134, 0.859134], "label": "As", "properties": {"magmom": -0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [4.848903025818, 2.717269974182, 6.5003564741819995]}, {"abc": [0.359134, 0.859134, 0.640866], "label": "As", "properties": {"magmom": -0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [2.717269974182, 6.5003564741819995, 4.848903025818]}, {"abc": [0.140866, 0.140866, 0.140866], "label": "As", "properties": {"magmom": -0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [1.065816525818, 1.065816525818, 1.065816525818]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 2ac 2ab 3", "number": 205, "point_group": "m-3", "symbol": "Pa-3", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_InAs\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.06912234\n_cell_length_b   4.06912234\n_cell_length_c   4.06912234\n_cell_angle_alpha   60.00000000\n_cell_angle_beta   60.00000000\n_cell_angle_gamma   60.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   InAs\n_chemical_formula_sum   'In1 As1'\n_cell_volume   47.64169934\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  In  In0  1  0.50000000  0.50000000  0.50000000  1.0\n  As  As1  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"As": 1.0, "In": 1.0}, "description": "", "elements": ["As", "In"], "formula": "InAs", "identifiers": {"materials_project_id": "mp-21391"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.613324525686113, "energy_above_hull": 0.18781695499999884, "formation_energy_per_atom": -0.20069285125000036, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 7.6e-06, "volume": 47.64169934463719}, "record_id": "mp-21391", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.069122339870356, "alpha": 59.99999999999999, "b": 4.069122339870356, "beta": 59.99999999999999, "c": 4.069122339870356, "gamma": 59.99999999999999, "matrix": [[0.0, 2.877304, 2.877304], [2.877304, 0.0, 2.877304], [2.877304, 2.877304, 0.0]], "pbc": [true, true, true], "volume": 47.64169934463719}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "In", "properties": {"magmom": -0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.877304, 2.877304, 2.877304]}, {"abc": [0.0, 0.0, 0.0], "label": "As", "properties": {"magmom": 0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-F 4 2 3", "number": 225, "point_group": "m-3m", "symbol": "Fm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_InAs\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.13741249\n_cell_length_b   4.13741249\n_cell_length_c   16.95044000\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   92.40989285\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   InAs\n_chemical_formula_sum   'In6 As6'\n_cell_volume   289.90409683\n_cell_formula_units_Z   6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  In  In0  1  0.58651400  0.41348600  0.59028200  1.0\n  In  In1  1  0.04682800  0.95317200  0.25000000  1.0\n  In  In2  1  0.58651400  0.41348600  0.90971800  1.0\n  In  In3  1  0.95317200  0.04682800  0.75000000  1.0\n  In  In4  1  0.41348600  0.58651400  0.09028200  1.0\n  In  In5  1  0.41348600  0.58651400  0.40971800  1.0\n  As  As6  1  0.07609800  0.92390200  0.56955100  1.0\n  As  As7  1  0.44273900  0.55726100  0.75000000  1.0\n  As  As8  1  0.92390200  0.07609800  0.43044900  1.0\n  As  As9  1  0.55726100  0.44273900  0.25000000  1.0\n  As  As10  1  0.92390200  0.07609800  0.06955100  1.0\n  As  As11  1  0.07609800  0.92390200  0.93044900  1.0\n", "composition": {"As": 6.0, "In": 6.0}, "description": "", "elements": ["As", "In"], "formula": "InAs", "identifiers": {"materials_project_id": "mp-641533"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.520846490204844, "energy_above_hull": 0.19850454583333388, "formation_energy_per_atom": -0.19000526041666888, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.000204, "volume": 289.90409683270025}, "record_id": "mp-641533", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.137412494043228, "alpha": 90.0, "b": 4.137412494043228, "beta": 90.0, "c": 16.95044, "gamma": 92.40989285094761, "matrix": [[2.863424, -2.986467, 0.0], [2.863424, 2.986467, 0.0], [0.0, 0.0, 16.95044]], "pbc": [true, true, true], "volume": 289.90409683270025}, "properties": {}, "sites": [{"abc": [0.586514, 0.413486, 0.590282], "label": "In", "properties": {"magmom": -0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.863424, -0.5167424120759998, 10.005539624079999]}, {"abc": [0.046828, 0.953172, 0.25], "label": "In", "properties": {"magmom": -0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.863424, 2.7067664466480004, 4.23761]}, {"abc": [0.586514, 0.413486, 0.909718], "label": "In", "properties": {"magmom": -0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.863424, -0.5167424120759998, 15.420120375920002]}, {"abc": [0.953172, 0.046828, 0.75], "label": "In", "properties": {"magmom": -0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.863424, -2.7067664466480004, 12.71283]}, {"abc": [0.413486, 0.586514, 0.090282], "label": "In", "properties": {"magmom": -0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.863424, 0.5167424120759998, 1.53031962408]}, {"abc": [0.413486, 0.586514, 0.409718], "label": "In", "properties": {"magmom": -0.0}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.863424, 0.5167424120759998, 6.9449003759200005]}, {"abc": [0.076098, 0.923902, 0.569551], "label": "As", "properties": {"magmom": 0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [2.863424, 2.5319386684680003, 9.65414005244]}, {"abc": [0.442739, 0.557261, 0.75], "label": "As", "properties": {"magmom": 0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [2.863424, 0.3420161737740002, 12.71283]}, {"abc": [0.923902, 0.076098, 0.430449], "label": "As", "properties": {"magmom": 0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [2.863424, -2.5319386684680003, 7.2962999475600006]}, {"abc": [0.557261, 0.442739, 0.25], "label": "As", "properties": {"magmom": 0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [2.863424, -0.3420161737740002, 4.23761]}, {"abc": [0.923902, 0.076098, 0.069551], "label": "As", "properties": {"magmom": 0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [2.863424, -2.5319386684680003, 1.17892005244]}, {"abc": [0.076098, 0.923902, 0.930449], "label": "As", "properties": {"magmom": 0.0}, "species": [{"element": "As", "occu": 1.0}], "xyz": [2.863424, 2.5319386684680003, 15.77151994756]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_InAs\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.31129594\n_cell_length_b   4.31150346\n_cell_length_c   7.08878558\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99840782\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   InAs\n_chemical_formula_sum   'In2 As2'\n_cell_volume   114.11586157\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  In  In0  1  0.66667810  0.33335621  0.50058814  1.0\n  In  In1  1  0.33332190  0.66664379  0.00058814  1.0\n  As  As2  1  0.66663721  0.33327441  0.87491186  1.0\n  As  As3  1  0.33336279  0.66672559  0.37491186  1.0\n", "composition": {"As": 2.0, "In": 2.0}, "description": "", "elements": ["As", "In"], "formula": "InAs", "identifiers": {"materials_project_id": "mp-1007652"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.521932085102788, "energy_above_hull": 0.0076950650000000564, "formation_energy_per_atom": -0.38081474124999914, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 114.11586157361741}, "record_id": "mp-1007652", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.31129594, "alpha": 90.0, "b": 4.311503461033862, "beta": 90.0, "c": 7.08878558, "gamma": 119.99840782095214, "matrix": [[4.31129594, 0.0, 0.0], [-2.15564797, 3.73393143, 0.0], [0.0, 0.0, 7.08878558]], "pbc": [true, true, true], "volume": 114.11586157361741}, "properties": {}, "sites": [{"abc": [0.6666781, 0.33335621, 0.50058814], "label": "In", "properties": {}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.1556479484435207, 1.2447292299046804, 3.548561988351021]}, {"abc": [0.3333219, 0.66664379, 0.00058814], "label": "In", "properties": {}, "species": [{"element": "In", "occu": 1.0}], "xyz": [2.1556479712359078e-08, 2.4892022000953196, 0.0041691983510212]}, {"abc": [0.66663721, 0.33327441, 0.87491186], "label": "As", "properties": {}, "species": [{"element": "As", "occu": 1.0}], "xyz": [2.1556479915564792, 1.2444237943137064, 6.202062576938978]}, {"abc": [0.33336279, 0.66672559, 0.37491186], "label": "As", "properties": {}, "species": [{"element": "As", "occu": 1.0}], "xyz": [-2.1556479490314473e-08, 2.4895076356862935, 2.6576697869389787]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P 6c -2c", "number": 186, "point_group": "6mm", "symbol": "P6_3mc", "symprec": 0.1, "version": "2.7.0"}}}